N-(3,4-dimethoxyphenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
N-(3,4-dimethoxyphenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | J079-1010 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C25 H29 N3 O5 |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)CC(Nc3ccc(c(c3)OC)OC)=O)=CC(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 2.7311 |
| logD: | 2.7186 |
| logSw: | -3.1951 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.329 |
| InChI Key: | KGHCPAKLMMUFLS-UHFFFAOYSA-N |